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Treatment of rotational isomers in free energy evaluations. Analysis of the evaluation of free energy differences by molecular dynamics simulations of systems with rotational isomeric states

Treatment of rotational isomers in free energy evaluations. Analysis of the evaluation of free energy differences by molecular dynamics simulations of systems with rotational isomeric states

Straatsma, T. P.; McCammon, J. A.
  • 期刊名称The Journal of Chemical Physics
  • 作者Straatsma, T. P.; McCammon, J. A.
  • 卷第90卷
  • 期第6期
  • 印刷ISSN0021-9606
  • 文件大小614.33KB
  • 发表时间1989
  • DOI10.1063/1.456651
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